* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    200    330     603
    1     0 S   NP   _N1_     1    28.98397    96.13543   -18.56638
    2     1 S   H    _HN1     2     1.02761    69.99128   -63.38672
    3     1 S   H    _H1_     3     1.02976    97.98078    43.31419
    4     1 S   H    _H2_     4     1.02816    44.54535   149.47463
    5     1 S   CT   _CA1     5     1.50224   148.32743  -163.72197
    6     5 S   HC   _HA1     6     1.09579   105.15186    25.99271
    7     5 S   CO3  _C1_     7     1.53965   112.42216   -93.79248
    8     7 S   O2Z  _O11     8     1.26361   115.08837   -36.80261
    9     7 S   O2Z  _O12     9     1.26284   114.95959   141.91010
   10     5 S   CT   _CB1    10     1.53069   107.22406   143.71400
   11    10 S   HC   HB11    11     1.09821   109.40390   -50.28244
   12    10 S   HC   HB12    12     1.09773   110.16784    66.05076
   13    10 S   CT   _CG1    13     1.52958   112.88659  -171.45243
   14    13 S   HC   HG11    14     1.09544   110.21714   -59.87846
   15    13 S   HC   HG12    15     1.09616   110.23727    59.18711
   16    13 S   C    _CD1    16     1.51882   112.21462   179.37756
   17    16 S   O    _OE1    17     1.22718   123.17934   -17.03183
   18    16 S   N    _N2_    18     1.38599   111.60268   164.12181
   19    18 S   H    _HN2    19     1.01552   118.85577     2.83669
   20    18 S   CT1  _CA2    20     1.45887   123.68192  -175.63974
   21    20 S   HC   _HA2    21     1.09757   109.17147   -16.97361
   22    20 S   C    _C2_    22     1.53505   107.59019  -132.28957
   23    22 S   O    _O2_    23     1.23009   122.48993  -142.54634
   24    20 S   CT   _CB2    32     1.54244   112.60258   105.43230
   25    24 S   HC   HB21    33     1.09008   111.05693    59.25514
   26    24 S   HC   HB22    34     1.09381   106.45320   176.57795
   27    22 S   N    _N3_    24     1.38587   113.21068    44.47858
   28    27 S   H    _HN3    25     1.01540   118.86979    -0.34264
   29    24 S   S    _SG2    35     1.82312   112.19577   -67.46518
   30    27 S   CT   _CA3    26     1.45413   123.28505   175.36794
   31    30 S   HC   HA31    27     1.09535   109.05746    28.26519
   32    30 S   HC   HA32    28     1.09493   107.18911   145.21499
   33    29 S   CT   _C10    36     1.94303   108.80599   146.86029
   34    30 S   CO3  _C3_    29     1.52916   113.14154   -95.08843
   35    34 S   O2Z  _O31    30     1.26397   115.39510   -46.17444
   36    34 S   O2Z  _O32    31     1.26354   114.99478   134.74567
   37    33 S   CT   _C9_    37     1.69287   109.51125   -75.96592
   38    33 S   CT   _C5_    75     1.72622   116.07984    49.30230
   39    33 S   CT   _C11    96     1.66293   104.31320   167.99076
   40    39 S   OM   _O35    97     1.33081   113.38748    53.69956
   41    39 S   HC   _H4_    98     1.09396   104.42738   179.80517
   42    37 S   CO4  _C13    38     1.57610   113.49588   -64.62350
   43    42 S   O    _O36    39     1.23872   120.92963    59.02929
   44    38 S   CT   _C4_    76     1.56642   113.40297   133.33735
   45    44 S   HC   _H8_    77     1.09135   112.06272   -75.48872
   46    44 S   HC   _H9_    78     1.09678   111.28922   166.20947
   47    44 S   HC   _H10    79     1.08994   114.27014    48.78121
   48    38 S   CT   _C25    80     1.58729   115.07876    11.26201
   49    48 S   HC   _H7_    81     1.08729   107.73710   -63.81329
   50    37 S   CT   _C24    92     1.55647   115.09346    48.41998
   51    50 S   HC   _H27    93     1.08513   115.88042    60.98493
   52    50 S   HC   _H28    94     1.08758   111.50069   -62.40584
   53    50 S   HC   _H29    95     1.09266   111.75461  -177.53995
   54    39 S   CO3  _C12    99     1.58295   121.88252   -64.75727
   55    54 S   O2Z  _O34   100     1.26340   117.89241    46.55795
   56    54 S   O2Z  _O33   101     1.27224   114.06723  -133.66183
   57    42 S   CT   _C14    40     1.52232   121.52917  -129.72001
   58    57 S   HC   _H15    41     1.09633   107.65646   140.74696
   59    57 S   HC   _H16    42     1.09369   107.65808  -103.77374
   60    48 S   C5BC _C26    82     1.51221   117.07418   179.64723
   61    48 S   OH   _O41    90     1.41979   110.68813    53.74094
   62    61 S   HO   _H33    91     0.97145   108.12282  -165.74832
   63    57 S   CT   _C15    43     1.50656   112.34877    20.11448
   64    63 S   HC   _H5_    44     1.10289   104.72807    63.18220
   65    60 S   C5BC _C27    83     1.42651   127.03322    94.67056
   66    65 S   HA   _H30    84     1.08091   127.29374    -1.66953
   67    63 S   CT   _C16    45     1.53640   113.20676   -53.14419
   68    63 S   CT   _C21    58     1.52717   120.38022  -179.44292
   69    65 S   C5A  _C28    85     1.37436   106.68794   178.51576
   70    69 S   HA   _H31    86     1.08022   133.82854   179.64064
   71    67 S   CT   _C17    46     1.54832   117.03028   -54.46671
   72    71 S   HC   _H17    47     1.09147   111.87828    30.96026
   73    71 S   HC   _H18    48     1.09299   112.00172   149.80214
   74    68 S   CT   _C22    59     1.52871   115.52198    35.36631
   75    74 S   HC   _H21    60     1.09622   110.56187   170.90396
   76    74 S   HC   _H22    61     1.09079   112.62412    52.47921
   77    74 S   HC   _H23    62     1.09516   111.47285   -68.66855
   78    68 S   CT   _C23    63     1.53413   111.43910   -88.92737
   79    78 S   HC   _H24    64     1.09621   110.79498  -175.83933
   80    78 S   HC   _H25    65     1.09474   111.58661    63.10176
   81    78 S   HC   _H26    66     1.09620   111.14593   -58.27514
   82    37 S   CT   _C8_    67     1.57183   106.13036   169.98600
   83    82 S   HC   _H3_    68     1.09125   105.60998    41.15447
   84    69 S   OA   _O40    87     1.35649   110.47940    -0.82898
   85    71 S   OS   _O37    49     1.44298   115.55679   -89.88263
   86    82 S   CT   _C7_    69     1.53226   112.08681   -70.47521
   87    86 S   HC   _H13    70     1.09378   112.30711   -87.83229
   88    86 S   HC   _H14    71     1.09765   108.40511   155.94849
   89    60 S   C5A  _C29    88     1.38267   128.00528   -88.71498
   90    89 S   HA   _H32    89     1.08087   133.29393     1.59912
   91    85 S   CO4  _C18    50     1.35484   119.57172   -50.99999
   92    91 S   O    _O38    51     1.22646   122.29091  -159.14220
   93    86 S   CT   _C6_    72     1.53161   114.01386    35.28828
   94    93 S   HC   _H11    73     1.09777   105.73208   153.18298
   95    93 S   HC   _H12    74     1.09320   110.75643   -95.50119
   96    91 S   CT   _C19    52     1.50264   115.11101    21.10826
   97    96 S   HC   _H19    53     1.09624   107.12871   151.43588
   98    96 S   HC   _H20    54     1.09269   109.08662   -90.95107
   99    67 S   CT   _C20    55     1.53356    98.46607  -170.61898
  100    99 S   HC   _H6_    56     1.09674   111.70162   -81.11754
  101    99 S   OS   _O39    57     1.45259   106.67760    35.25880
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  30   2   1   1  26  24  11   4   3  15   6  11   4   3   2  14
   6   8   3   2   1   2   1   1  12   5   4  10   4   1  22   8
   6   4  20  14   4   2  12   5   4   9   4   3   2   5   3   2
   1  12   5   2   6   6   4   3   1   1   7   4   2   1   1   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    82    93    38    44    48    50    39    40    41    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    57    67    82    83    86    93    94    95    38    44    45    46    47    48    49    60    61    50    51    52    53    39    40    41    54    55    56  
   35    36  
   36  
    0  
   42    43    57    58    59    63    67    71    99    82    83    86    87    88    93    38    44    48    50    51    52    53    39    40    41    54  
   44    45    46    47    48    49    60    65    89    61    62    50    39    40    41    54    42    82    86    87    88    93    94    95  
   40    41    54    55    56    42    44    48    50    82    93  
   41    54    55    56  
   54    55    56  
   43    57    58    59    63    64    67    68    82    83    86    50    51    52    53  
   57    58    59    63    82    50  
   45    46    47    48    49    60    61    86    93    94    95  
   46    47    48    93  
   47    48    93  
   48    93  
   49    60    65    66    69    84    89    90    61    62    86    93    94    95  
   60    65    89    61    62    93  
   51    52    53    57    67    82    83    86  
   52    53    82  
   53    82  
   82  
   55    56  
   56  
    0  
   58    59    63    64    67    71    99   101    68    74    78    82  
   59    63    64    67    68  
   63    64    67    68  
   65    66    69    70    84    89    90    61    62    93  
   62    65    89    93  
    0  
   64    67    71    72    73    85    96    99   100   101    68    74    75    76    77    78    79    80    81    82    83    86  
   67    71    99   101    68    74    78    82  
   66    69    70    84    89    90  
   69    70    84    89  
   71    72    73    85    91    96    97    98    99   100   101    68    74    78    82    83    86    87    88    93  
   74    75    76    77    78    79    80    81    82    71    96    99   100   101  
   70    84    89    90  
   84    89  
   72    73    85    91    92    96    99   100   101    82    83    86  
   73    85    91    99    82  
   85    91    99    82  
   75    76    77    78    79    80    81    99   101  
   76    77    78   101  
   77    78   101  
   78   101  
   79    80    81    99   101  
   80    81   101  
   81   101  
  101  
   83    86    87    88    93    94    95    85    96    99   100   101  
   86    87    88    93    99  
   89    90  
   91    92    96    97    98    99  
   87    88    93    94    95    99  
   88    93    94    95  
   93    94    95  
   90  
    0  
   92    96    97    98    99   100   101  
   96    97    98    99  
   94    95  
   95  
    0  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  101   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    38   268.000  1.529
   33    39   268.000  1.529
   37    42   317.000  1.522
   37    82   268.000  1.529
   37    50   268.000  1.529
   42    43   570.000  1.229
   42    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    68   268.000  1.529
   67    71   268.000  1.529
   67    99   268.000  1.529
   67    82   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    85   320.000  1.410
   85    91   214.000  1.327
   91    92   570.000  1.229
   91    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   320.000  1.410
  101    68   320.000  1.410
   68    74   268.000  1.529
   68    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    38   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    60   285.000  1.502
   48    61   320.000  1.410
   60    65   469.000  1.424
   60    89   546.000  1.367
   65    66   367.000  1.080
   65    69   546.000  1.367
   69    70   367.000  1.080
   69    84   340.000  1.360
   84    89   340.000  1.360
   89    90   367.000  1.080
   61    62   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    54   317.000  1.522
   54    55   656.000  1.250
   54    56   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    42    63.00000  111.10000
   33    37    82    58.35000  112.70000
   33    37    50    58.35000  112.70000
   33    38    93    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    38    48    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    54    70.00000  109.69300
   37    42    43    80.00000  120.40000
   37    42    57    70.00000  116.00000
   37    82    67    58.35000  112.70000
   37    82    83    37.50000  110.70000
   37    82    86    58.35000  112.70000
   37    50    51    37.50000  110.70000
   37    50    52    37.50000  110.70000
   37    50    53    37.50000  110.70000
   42    57    58    35.00000  109.50000
   42    57    59    35.00000  109.50000
   42    57    63    63.00000  111.10000
   57    42    43    80.00000  120.40000
   57    63    64    37.50000  110.70000
   57    63    67    58.35000  112.70000
   57    63    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    99    58.35000  112.70000
   63    67    82    58.35000  112.70000
   63    68   101    50.00000  109.50000
   63    68    74    58.35000  112.70000
   63    68    78    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    85    50.00000  109.50000
   67    99    96    58.35000  112.70000
   67    99   100    37.50000  110.70000
   67    99   101    50.00000  109.50000
   67    82    83    37.50000  110.70000
   67    82    86    58.35000  112.70000
   71    85    91    83.00000  116.90000
   73    71    72    33.00000  107.80000
   85    71    72    35.00000  109.50000
   85    71    73    35.00000  109.50000
   85    91    92    83.00000  123.40000
   85    91    96    81.00000  111.40000
   91    96    97    35.00000  109.50000
   91    96    98    35.00000  109.50000
   91    96    99    63.00000  111.10000
   96    91    92    80.00000  120.40000
   96    99   100    37.50000  110.70000
   96    99   101    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    67    71    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   101    68    60.00000  109.50000
  101    99   100    35.00000  109.50000
  101    68    74    50.00000  109.50000
  101    68    78    50.00000  109.50000
   68    63    64    37.50000  110.70000
   68    63    67    58.35000  112.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    80    37.50000  110.70000
   68    78    81    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    37    42    63.00000  111.10000
   82    67    71    58.35000  112.70000
   82    67    99    58.35000  112.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    93    58.35000  112.70000
   86    82    83    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    38    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93    38    44    58.35000  112.70000
   93    38    48    58.35000  112.70000
   95    93    94    33.00000  107.80000
   38    33    37    58.35000  112.70000
   38    93    94    37.50000  110.70000
   38    93    95    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    60    70.00000  112.17500
   38    48    61    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    44    58.35000  112.70000
   48    60    65    60.00000  130.00000
   48    60    89    60.00000  130.00000
   48    61    62    55.00000  108.50000
   60    48    49    35.00000  109.50000
   60    65    66    35.00000  127.50000
   60    65    69    70.00000  107.30000
   60    89    84    70.00000  110.60000
   60    89    90    35.00000  132.10000
   65    69    70    35.00000  132.10000
   65    69    84    70.00000  110.60000
   69    65    66    35.00000  125.70000
   69    84    89    70.00000  106.50000
   84    69    70    35.00000  113.40000
   84    89    90    35.00000  113.40000
   89    60    65    70.00000  107.30000
   61    48    49    35.00000  109.50000
   61    48    60    90.00000  112.51600
   50    37    42    63.00000  111.10000
   50    37    82    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    38    58.35000  112.70000
   39    54    55    70.00000  117.00000
   39    54    56    70.00000  117.00000
   41    39    40    45.00000  125.66300
   54    39    40    85.00000  109.63000
   54    39    41    35.00000  109.50000
   56    54    55    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
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   48    60    89    84   3.62500 -1.0 2.0
   48    60    89    90   3.62500 -1.0 2.0
   49    48    60    65   0.00000  1.0 1.0
   49    48    60    89   0.00000  1.0 1.0
   49    48    61    62   0.19450  1.0 3.0
   60    48    61    62   0.31900  1.0 1.0
   60    48    61    62  -0.11800 -1.0 2.0
   60    48    61    62   0.38750  1.0 3.0
   60    65    69    70   3.62500 -1.0 2.0
   60    65   -69    84   3.62500 -1.0 2.0
   65    60   -89    84   3.62500 -1.0 2.0
   65    60    89    90   3.62500 -1.0 2.0
   65    69   -84    89   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    84   3.62500 -1.0 2.0
   69    84   -89    60   3.62500 -1.0 2.0
   69    84    89    90   3.62500 -1.0 2.0
   70    69    84    89   3.62500 -1.0 2.0
   89    60    65    66   3.62500 -1.0 2.0
   89    60   -65    69   3.62500 -1.0 2.0
   61    48    60    65   0.14300 -1.0 2.0
   61    48    60    65   0.00300  1.0 3.0
   61    48    60    89   0.14300 -1.0 2.0
   61    48    60    89   0.00300  1.0 3.0
   50    37    42    43   0.30150 -1.0 2.0
   50    37    42    57   0.60050  1.0 1.0
   50    37    42    57   0.05600 -1.0 2.0
   50    37    42    57   0.26150  1.0 3.0
   50    37    82    67   0.56750  1.0 1.0
   50    37    82    67  -0.07550 -1.0 2.0
   50    37    82    67   0.20000  1.0 3.0
   50    37    82    83   0.15000  1.0 3.0
   50    37    82    86   0.56750  1.0 1.0
   50    37    82    86  -0.07550 -1.0 2.0
   50    37    82    86   0.20000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33    37    82   0.56750  1.0 1.0
   39    33    37    82  -0.07550 -1.0 2.0
   39    33    37    82   0.20000  1.0 3.0
   39    33    37    50   0.56750  1.0 1.0
   39    33    37    50  -0.07550 -1.0 2.0
   39    33    37    50   0.20000  1.0 3.0
   39    33    38    93   0.56750  1.0 1.0
   39    33    38    93  -0.07550 -1.0 2.0
   39    33    38    93   0.20000  1.0 3.0
   39    33    38    44   0.56750  1.0 1.0
   39    33    38    44  -0.07550 -1.0 2.0
   39    33    38    44   0.20000  1.0 3.0
   39    33    38    48   0.56750  1.0 1.0
   39    33    38    48  -0.07550 -1.0 2.0
   39    33    38    48   0.20000  1.0 3.0
   40    39    54    55   0.30150 -1.0 2.0
   40    39    54    56   0.30150 -1.0 2.0
   41    39    54    55   0.00000  1.0 1.0
   41    39    54    56   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    57    42    43  10.50000 -1.0 2.0
   85    96    91    92  10.50000 -1.0 2.0
   65    89    60    48   4.00000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   84    70    69    65   1.10000 -1.0 2.0
   84    90    89    60   1.10000 -1.0 2.0
   55    39    54    56  10.50000 -1.0 2.0
END
